Brief Information of the Compound and Protein
Compound Name
2-amino-9-[(1S,6R,8R,9R,10S,15R,17R,18R)-17-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]-1H-purin-6-one
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PubChem ID
CID: 135471108
SID: 16261699
Canonical SMILES
Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP(O)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@H]2[C@H]1O)O[C@H]([C@@H]3O)n1cnc2c(N)ncnc12
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Compound Formula C20H24N10O13P2
Compound Structure
Protein Name
Stimulator of interferon genes protein
Protein Classification
Unclassified protein
Uniprot ID
Q86WV6
Gene Name
STING1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  6
1
EC50 = 120 nM
   TI
   LI
   LO
   TS
2
EC50 = 121 nM
   TI
   LI
   LO
   TS
3
EC50 = 260 nM
   TI
   LI
   LO
   TS
4
EC50 = 2060 nM
   TI
   LI
   LO
   TS
5
EC50 = 68370 nM
   TI
   LI
   LO
   TS
6
EC50 = 70100 nM
   TI
   LI
   LO
   TS
CL000494 THP1-Dual Homo sapiens (Human)  2
1
EC50 = 4740 nM
   TI
   LI
   LO
   TS
2
EC50 = 58460 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Kd = 1040 nM